Geometry & MOs

Info

ID:	302198
PubChem CID:	124360335
Reduced:	FN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	338.101505
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	3.39
IP(EA), eV:	-9.05(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)F)C=C1C(=O)N[C@H](CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations